CID 135437908

102688-92-6

Structural Information

Molecular Formula
C19H26N4OS
SMILES
CC1(CC2=C(C(=NC3CCCCC3)C1)SC4=NC=NC(=C4N2)OC)C
InChI
InChI=1S/C19H26N4OS/c1-19(2)9-13(22-12-7-5-4-6-8-12)16-14(10-19)23-15-17(24-3)20-11-21-18(15)25-16/h11-12,23H,4-10H2,1-3H3
InChIKey
QNHQNNCKVSDLTO-UHFFFAOYSA-N
Compound name
N-cyclohexyl-4-methoxy-7,7-dimethyl-6,8-dihydro-5H-pyrimido[4,5-b][1,4]benzothiazin-9-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.18274 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19002 184.5
[M+Na]+ 381.17196 196.5
[M+NH4]+ 376.21656 194.3
[M+K]+ 397.14590 184.5
[M-H]- 357.17546 188.8
[M+Na-2H]- 379.15741 190.5
[M]+ 358.18219 187.9
[M]- 358.18329 187.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.